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15 molecules are shown

Wt: 310.3
BDBM7239
Wt: 309.3
BDBM7253
Wt: 241.2
BDBM7238
Wt: 240.2
BDBM10073
Wt: 258.2
BDBM10074
Wt: 270.2
BDBM10075
Wt: 285.2
BDBM10076
Wt: 384.3
BDBM10084
Wt: 398.4
BDBM10086
Wt: 384.3
BDBM10087
Wt: 383.4
BDBM10088
Wt: 383.4
BDBM10089
Wt: 383.4
BDBM10090
Wt: 369.3
BDBM10091
Wt: 384.1
BDBM10094

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 7239,7253,7238,10073,10074,10075,10076,10084,10086,10087,10088,10089,10090,10091,10094   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CDK2/CycE


(Homo sapiens (human))
BDBM7238
PNG
((3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3...)
Show SMILES COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)
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n/an/a 110n/an/an/an/a7.422



SUGEN, Inc.



Assay Description
For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1016/s0960-894x(03)00312-3
BindingDB Entry DOI: 10.7270/Q2HD7SW7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM7238
PNG
((3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3...)
Show SMILES COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)
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n/an/a 35n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Inhibition of CDK2


AAPS J 8: 204-21 (2006)


Article DOI: 10.1208/aapsj080125
BindingDB Entry DOI: 10.7270/Q2TX3GBS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (human))
BDBM7253
PNG
((3Z)-5-methoxy-3-({4-oxo-2H,4H,5H,6H,7H-pyrrolo[3,...)
Show SMILES COc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCNC4=O)c2c1
Show InChI InChI=1S/C17H15N3O3/c1-23-9-2-3-14-11(6-9)12(17(22)20-14)7-15-10-4-5-18-16(21)13(10)8-19-15/h2-3,6-8,19H,4-5H2,1H3,(H,18,21)(H,20,22)/b12-7-
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n/an/a 250n/an/an/an/a7.422



SUGEN, Inc.



Assay Description
For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1016/s0960-894x(03)00312-3
BindingDB Entry DOI: 10.7270/Q2HD7SW7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM7238
PNG
((3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3...)
Show SMILES COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)
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n/an/a 130n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1016/s0960-894x(03)00312-3
BindingDB Entry DOI: 10.7270/Q2HD7SW7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM7239
PNG
((3Z)-5-methoxy-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]...)
Show SMILES COc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C17H14N2O4/c1-22-9-2-3-14-11(6-9)12(16(20)19-14)7-15-10-4-5-23-17(21)13(10)8-18-15/h2-3,6-8,18H,4-5H2,1H3,(H,19,20)/b12-7-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1016/s0960-894x(03)00312-3
BindingDB Entry DOI: 10.7270/Q2HD7SW7
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM7238
PNG
((3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3...)
Show SMILES COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)
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n/an/a 1.80E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well microtit...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1016/s0960-894x(03)00312-3
BindingDB Entry DOI: 10.7270/Q2HD7SW7
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM7239
PNG
((3Z)-5-methoxy-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]...)
Show SMILES COc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C17H14N2O4/c1-22-9-2-3-14-11(6-9)12(16(20)19-14)7-15-10-4-5-23-17(21)13(10)8-18-15/h2-3,6-8,18H,4-5H2,1H3,(H,19,20)/b12-7-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well microtit...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1016/s0960-894x(03)00312-3
BindingDB Entry DOI: 10.7270/Q2HD7SW7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM7238
PNG
((3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3...)
Show SMILES COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)
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n/an/a 1.10E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1016/s0960-894x(03)00312-3
BindingDB Entry DOI: 10.7270/Q2HD7SW7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM7239
PNG
((3Z)-5-methoxy-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]...)
Show SMILES COc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C17H14N2O4/c1-22-9-2-3-14-11(6-9)12(16(20)19-14)7-15-10-4-5-23-17(21)13(10)8-18-15/h2-3,6-8,18H,4-5H2,1H3,(H,19,20)/b12-7-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1016/s0960-894x(03)00312-3
BindingDB Entry DOI: 10.7270/Q2HD7SW7
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10073
PNG
((3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2,3...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C14H12N2O2/c1-18-13-6-7-15-12(13)8-10-9-4-2-3-5-11(9)16-14(10)17/h2-8,15H,1H3,(H,16,17)/b10-8-
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n/an/a 5.36E+3n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10074
PNG
((3Z)-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methyli...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)cc12
Show InChI InChI=1S/C14H11FN2O2/c1-19-13-4-5-16-12(13)7-10-9-6-8(15)2-3-11(9)17-14(10)18/h2-7,16H,1H3,(H,17,18)/b10-7-
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n/an/a 847n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10075
PNG
((3Z)-5-methoxy-3-[(3-methoxy-1H-pyrrol-2-yl)methyl...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(OC)cc12
Show InChI InChI=1S/C15H14N2O3/c1-19-9-3-4-12-10(7-9)11(15(18)17-12)8-13-14(20-2)5-6-16-13/h3-8,16H,1-2H3,(H,17,18)/b11-8-
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n/an/a 209n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10076
PNG
((3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-5-n...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(cc12)N(=O)=O
Show InChI InChI=1S/C14H11N3O4/c1-21-13-4-5-15-12(13)7-10-9-6-8(17(19)20)2-3-11(9)16-14(10)18/h2-7,15H,1H3,(H,16,18)/b10-7-
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n/an/a 39n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10084
PNG
((3Z)-4-(4-hydroxypiperidin-1-yl)-3-[(3-methoxy-1H-...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCC(O)CC3)c12)N(=O)=O
Show InChI InChI=1S/C19H20N4O5/c1-28-16-4-7-20-14(16)10-12-17-13(21-19(12)25)2-3-15(23(26)27)18(17)22-8-5-11(24)6-9-22/h2-4,7,10-11,20,24H,5-6,8-9H2,1H3,(H,21,25)/b12-10-
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n/an/a 4n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10086
PNG
((3Z)-4-[(4-hydroxycyclohexyl)amino]-3-[(3-methoxy-...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N[C@H]3CC[C@H](O)CC3)c12)N(=O)=O
Show InChI InChI=1S/C20H22N4O5/c1-29-17-8-9-21-15(17)10-13-18-14(23-20(13)26)6-7-16(24(27)28)19(18)22-11-2-4-12(25)5-3-11/h6-12,21-22,25H,2-5H2,1H3,(H,23,26)/b13-10-/t11-,12-
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n/an/a 6n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10087
PNG
((3Z)-4-{[(1S,3S)-3-hydroxycyclopentyl]amino}-3-[(3...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N[C@H]3CC[C@H](O)C3)c12)N(=O)=O
Show InChI InChI=1S/C19H20N4O5/c1-28-16-6-7-20-14(16)9-12-17-13(22-19(12)25)4-5-15(23(26)27)18(17)21-10-2-3-11(24)8-10/h4-7,9-11,20-21,24H,2-3,8H2,1H3,(H,22,25)/b12-9-/t10-,11-/m0/s1
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n/an/a 5n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10088
PNG
((3Z)-4-{[(1S,3S)-3-aminocyclopentyl]amino}-3-[(3-m...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N[C@H]3CC[C@H](N)C3)c12)N(=O)=O
Show InChI InChI=1S/C19H21N5O4/c1-28-16-6-7-21-14(16)9-12-17-13(23-19(12)25)4-5-15(24(26)27)18(17)22-11-3-2-10(20)8-11/h4-7,9-11,21-22H,2-3,8,20H2,1H3,(H,23,25)/b12-9-/t10-,11-/m0/s1
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n/an/a 5n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10089
PNG
((3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-5-n...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(NC3CCNCC3)c12)N(=O)=O
Show InChI InChI=1S/C19H21N5O4/c1-28-16-6-9-21-14(16)10-12-17-13(23-19(12)25)2-3-15(24(26)27)18(17)22-11-4-7-20-8-5-11/h2-3,6,9-11,20-22H,4-5,7-8H2,1H3,(H,23,25)/b12-10-
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n/an/a 5n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10090
PNG
((3Z)-4-(4-aminopiperidin-1-yl)-3-[(3-methoxy-1H-py...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCC(N)CC3)c12)N(=O)=O
Show InChI InChI=1S/C19H21N5O4/c1-28-16-4-7-21-14(16)10-12-17-13(22-19(12)25)2-3-15(24(26)27)18(17)23-8-5-11(20)6-9-23/h2-4,7,10-11,21H,5-6,8-9,20H2,1H3,(H,22,25)/b12-10-
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n/an/a 5n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10091
PNG
((-)-(R)-(Z)-4-(3-Amino-pyrrolidinyl)-3-(3-methoxy-...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CC[C@@H](N)C3)c12)N(=O)=O
Show InChI InChI=1S/C18H19N5O4/c1-27-15-4-6-20-13(15)8-11-16-12(21-18(11)24)2-3-14(23(25)26)17(16)22-7-5-10(19)9-22/h2-4,6,8,10,20H,5,7,9,19H2,1H3,(H,21,24)/b11-8-/t10-/m1/s1
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n/an/a 3n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10074
PNG
((3Z)-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methyli...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)cc12
Show InChI InChI=1S/C14H11FN2O2/c1-19-13-4-5-16-12(13)7-10-9-6-8(15)2-3-11(9)17-14(10)18/h2-7,16H,1H3,(H,17,18)/b10-7-
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n/an/a 847n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM10094
PNG
((3Z)-5-fluoro-4-iodo-3-[(3-methoxy-1H-pyrrol-2-yl)...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(I)c12
Show InChI InChI=1S/C14H10FIN2O2/c1-20-11-4-5-17-10(11)6-7-12-9(18-14(7)19)3-2-8(15)13(12)16/h2-6,17H,1H3,(H,18,19)/b7-6-
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n/an/a 1.00E+3n/an/an/an/a7.522



Hoffmann-La Roche Inc.



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem Lett 14: 913-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens)
BDBM7238
PNG
((3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3...)
Show SMILES COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)
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n/an/an/an/a 7.73E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B27SRF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM7238
PNG
((3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3...)
Show SMILES COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)
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n/an/an/an/a 612n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Probable global transcription activator SNF2L2


(Homo sapiens)
BDBM7238
PNG
((3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3...)
Show SMILES COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)
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n/an/an/an/a 9.12E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GF0S4R
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM7238
PNG
((3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3...)
Show SMILES COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)
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n/an/a 55n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Inhibition of CDK1


AAPS J 8: 204-21 (2006)


Article DOI: 10.1208/aapsj080125
BindingDB Entry DOI: 10.7270/Q2TX3GBS
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens)
BDBM7238
PNG
((3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3...)
Show SMILES COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Weill Cornell Medical College

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay


Bioorg Med Chem Lett 21: 4108-14 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.149
BindingDB Entry DOI: 10.7270/Q2KK9C4H
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM7238
PNG
((3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3...)
Show SMILES COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)
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n/an/a 200n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of His-6-tagged CDK4 (unknown origin) expressed in baculovirus-infected insect cells using GST-retinoblastoma as substrate after 1 hr by b...


J Med Chem 57: 578-99 (2014)


Article DOI: 10.1021/jm401073p
BindingDB Entry DOI: 10.7270/Q28W3FSW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM7238
PNG
((3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3...)
Show SMILES COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)
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n/an/a 40n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of His-6-tagged CDK1 (unknown origin) expressed in baculovirus-infected insect cells using histone H1 as substrate after 1 hr by by liquid...


J Med Chem 57: 578-99 (2014)


Article DOI: 10.1021/jm401073p
BindingDB Entry DOI: 10.7270/Q28W3FSW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM7238
PNG
((3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3...)
Show SMILES COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)
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n/an/a 22n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of His-6-tagged CDK2 (unknown origin) expressed in baculovirus-infected insect cells using histone H1 as substrate after 1 hr by by liquid...


J Med Chem 57: 578-99 (2014)


Article DOI: 10.1021/jm401073p
BindingDB Entry DOI: 10.7270/Q28W3FSW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM7238
PNG
((3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3...)
Show SMILES COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM7238
PNG
((3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3...)
Show SMILES COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM7238
PNG
((3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3...)
Show SMILES COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens-Homo sapiens (human))
BDBM7238
PNG
((3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3...)
Show SMILES COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)
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n/an/a 22n/an/an/an/an/an/a



The Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB


Trends Pharmacol Sci 25: 471-80 (2004)


Article DOI: 10.1016/j.tips.2004.07.006
BindingDB Entry DOI: 10.7270/Q2VX0HG5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM7238
PNG
((3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3...)
Show SMILES COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)
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n/an/a 65n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Inhibition of CDK5


AAPS J 8: 204-21 (2006)


Article DOI: 10.1208/aapsj080125
BindingDB Entry DOI: 10.7270/Q2TX3GBS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM7238
PNG
((3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3...)
Show SMILES COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)
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n/an/a 300n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Inhibition of CDK4


AAPS J 8: 204-21 (2006)


Article DOI: 10.1208/aapsj080125
BindingDB Entry DOI: 10.7270/Q2TX3GBS
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7239
PNG
((3Z)-5-methoxy-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]...)
Show SMILES COc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C17H14N2O4/c1-22-9-2-3-14-11(6-9)12(16(20)19-14)7-15-10-4-5-23-17(21)13(10)8-18-15/h2-3,6-8,18H,4-5H2,1H3,(H,19,20)/b12-7-
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n/an/a 40n/an/an/an/a7.422



SUGEN, Inc.



Assay Description
For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1016/s0960-894x(03)00312-3
BindingDB Entry DOI: 10.7270/Q2HD7SW7
More data for this
Ligand-Target Pair